2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+)

C45H38N4OPt — CID 153440915

About 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+)

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153440915) has the molecular formula C45H38N4OPt and a molecular weight of 845.90 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 153440915
• Molecular Formula: C45H38N4OPt
• Molecular Weight: 845.90 g/mol
• Exact Mass: 845.27
• IUPAC Name: 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-c5ccccc5)ccc3n4-c3cc(CC(C)(C)C)ccn3)ccc2)c(C)c1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C45H38N4O.Pt/c1-30-44(34-15-10-7-11-16-34)31(2)49(47-30)36-17-12-18-37(27-36)50-38-20-21-39-40-26-35(33-13-8-6-9-14-33)19-22-41(40)48(42(39)28-38)43-25-32(23-24-46-43)29-45(3,4)5;/h6-26H,29H2,1-5H3;/q-2;+2
• InChIKey: BSJOOLKKERIXJZ-UHFFFAOYSA-N
• XLogP: 11.29
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.90
LogP ≤ 5	11.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+) (CID 153440915) is 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+) is Cc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-c5ccccc5)ccc3n4-c3cc(CC(C)(C)C)ccn3)ccc2)c(C)c1-c1ccccc1.[Pt+2].

What is the InChIKey of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is BSJOOLKKERIXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N4O.Pt/c1-30-44(34-15-10-7-11-16-34)31(2)49(47-30)36-17-12-18-37(27-36)50-38-20-21-39-40-26-35(33-13-8-6-9-14-33)19-22-41(40)48(42(39)28-38)43-25-32(23-24-46-43)29-45(3,4)5;/h6-26H,29H2,1-5H3;/q-2;+2.

What are the key properties of 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+)?

2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 845.90 g/mol, XLogP of 11.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153440915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).